SCHEMBL4737735

SCHEMBL4737735

CN1C(=O)C(c2cccc(-c3cnccc3Cl)c2)(c2ccc3c(c2)CCO3)N=C1N

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
BACE2 Q9Y5Z0 13/20 0.77
CTSD P07339 11/20 0.77

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4798064 0.99 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL4736725 0.96 BACE1 (0.71) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4737368 0.95 BACE1 (0.70) BACE1BACE2CTSD
SCHEMBL8189766 0.88 BACE1 (0.73) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4736072 0.87 BACE1 (0.72) BACE1BACE2CTSD
SCHEMBL3535101 0.87 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL4519635 0.85 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL8188872 0.84 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL23190446 0.84 BACE1 (0.85) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL5132702 0.84 BACE1 (0.75) BACE1BACE2CTSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO claimed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed